2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile

C14H13N3O — CID 63311555

IUPAC2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCc1cccc(CO)c1
InChIInChI=1S/C14H13N3O/c15-8-13-5-2-6-16-14(13)17-9-11-3-1-4-12(7-11)10-18/h1-7,18H,9-10H2,(H,16,17)
InChIKeyMWBDTNCTSOVPKD-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.06
Rot. Bonds4

About 2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile

2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile (PubChem CID 63311555) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
PubChem CID63311555
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCc1cccc(CO)c1
InChIInChI=1S/C14H13N3O/c15-8-13-5-2-6-16-14(13)17-9-11-3-1-4-12(7-11)10-18/h1-7,18H,9-10H2,(H,16,17)
InChIKeyMWBDTNCTSOVPKD-UHFFFAOYSA-N
XLogP2.06
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 51091666
2-[[3-(hydroxymethyl)phenyl]methylamino]benzonitrile
CID 55204093
2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile
CID 131894195
[3-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114599421
2-fluoro-5-[[[3-(hydroxymethyl)-2-pyridinyl]amino]methyl]benzonitrile
CID 83317572
2-[(2-hydroxyphenyl)methylamino]pyridine-3-carbonitrile
CID 113228777
2-(thiophen-3-ylmethylamino)pyridine-3-carbonitrile
CID 60965511
2-[2-(3-chlorophenyl)ethylamino]pyridine-3-carbonitrile
CID 39743124
3-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 78942067
2-fluoro-5-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]benzonitrile
CID 103860002
2-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-3-carbonitrile
CID 133380381
2-(2,2,2-trifluoroethylamino)pyridine-3-carbonitrile
CID 24690844

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile (CID 63311555) is 2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile is N#Cc1cccnc1NCc1cccc(CO)c1.
What is the InChIKey of 2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is MWBDTNCTSOVPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c15-8-13-5-2-6-16-14(13)17-9-11-3-1-4-12(7-11)10-18/h1-7,18H,9-10H2,(H,16,17).
What are the key properties of 2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile?
2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 239.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 63311555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).